⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10745063 | 0.82 | DRD2 (0.32) | — | |
| SCHEMBL9545442 | 0.80 | — | — | |
| SCHEMBL9545465 | 0.76 | LTB4R (0.30) | — | |
| SCHEMBL9545376 | 0.73 | MAPT (0.30) | — | |
| SCHEMBL9545547 | 0.72 | POLB (0.36) | — | |
| SCHEMBL9865880 | 0.71 | HTR1D (0.31) | — | |
| SCHEMBL10744948 | 0.68 | HCAR1 (0.31) | — | |
| SCHEMBL9865854 | 0.68 | HCAR1 (0.39) | — | |
| SCHEMBL7038679 | 0.62 | CCR1 (0.41) | — | |
| SCHEMBL10461699 | 0.61 | PTGS2 (0.43) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993021150-A2 | ARTHROPODICIDAL ARYL SULFONATES | DUNLENA PTY. LTD. (AU) | 1993-10-28 | — | — | WO | disclosed |